Geometry & MOs

Info

ID:

128343

PubChem CID:

51040689

Reduced:

O5C24H32 (1)

Stoich.:

A5B24C32 (1)

Weight, g/mol:

886.347048

ΔHf, kcal/mol:

-230.97

Dipole, Da:

7.52

IP(EA), eV:

 -8.94(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O

DOS

IR

Vibrations